Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | HDAC8 | Q9BY41 | 1/20 | 0.41 |
| ▸ | GPR132 | Q9UNW8 | 2/20 | 0.39 |
| ▸ | GAA | P10253 | 2/20 | 0.39 |
| ▸ | MKNK1 | Q9BUB5 | 1/20 | 0.39 |
| ▸ | MKNK2 | Q9HBH9 | 1/20 | 0.39 |
| ▸ | RAB9A | P51151 | 2/20 | 0.38 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.38 |
| ▸ | VNN1 | O95497 | 1/20 | 0.38 |
| ▸ | NPC1 | O15118 | 1/20 | 0.38 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.38 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.38 |
| ▸ | RELA | Q04206 | 1/20 | 0.38 |
| ▸ | TSHR | P16473 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 1/20 | 0.38 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.38 |
| ▸ | CYP2D6 | P10635 | 2/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.38 |
| ▸ | SLC6A2 | P23975 | 1/20 | 0.38 |
| ▸ | SLC6A4 | P31645 | 1/20 | 0.38 |
| ▸ | SLC6A3 | Q01959 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2800230 | 0.89 | SLC7A5 (0.46) | HDAC8 | |
| SCHEMBL4403267 | 0.82 | MDM2 (0.44) | HDAC8RAB9ANPC1KMT2A | |
| SCHEMBL14843883 | 0.78 | KMO (0.40) | RAB9AALDH1A1NPC1MAPTHPGD | |
| SCHEMBL4420284 | 0.76 | GRN (0.40) | RAB9AALDH1A1NPC1HPGD | |
| SCHEMBL5067796 | 0.73 | CA1 (0.38) | RAB9AALDH1A1NPC1TSHRKMT2A | |
| SCHEMBL2333132 | 0.72 | KMT2A (0.57) | HDAC8TSHRMAPTKMT2ASLC6A2 | |
| Phenylalanine SCHEMBL5492577 | 0.71 | SLC7A5 (0.71) | CYP3A4CYP1A2CYP2C9LMNANAPRT | |
| SCHEMBL6897797 | 0.71 | NPC1 (0.38) | RAB9AALDH1A1NPC1MAPTKMT2A | |
| SCHEMBL124365 | 0.71 | SLC7A5 (0.65) | CYP3A4CYP1A2CYP2C9NAPRT | |
| SCHEMBL5056888 | 0.71 | SLC7A5 (0.65) | CYP3A4CYP1A2CYP2C9NAPRT |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1917020-A1 | MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS | Seattle Genetics, Inc. (US) | 2008-05-07 | — | — | EP | disclosed |
| WO-2007008603-A1 | MONOMETHYLVALINE COMPOUNDS HAVING PHENYLALANINE SIDE-CHAIN MODIFICATIONS AT THE C-TERMINUS | SEATTLE GENETICS, INC. (US) | 2007-01-18 | — | — | WO | disclosed |